2FN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O42 | C42 | sing | 1.43Å | 1.43Å | |
| O47 | C46 | sing | 1.43Å | 1.44Å | |
| C42 | C44 | sing | 1.53Å | 1.54Å | |
| C42 | C39 | sing | 1.53Å | 1.55Å | |
| C44 | C46 | sing | 1.53Å | 1.52Å | |
| C44 | O45 | sing | 1.43Å | 1.43Å | |
| O41 | C40 | sing | 1.43Å | 1.43Å | |
| C46 | C37 | sing | 1.53Å | 1.57Å | |
| C39 | C40 | sing | 1.53Å | 1.54Å | |
| C39 | O38 | sing | 1.43Å | 1.43Å | |
| C37 | O38 | sing | 1.43Å | 1.48Å | |
| C37 | O36 | sing | 1.43Å | 1.44Å | |
| O36 | C35 | sing | 1.43Å | 1.44Å | |
| C28 | C26 | sing | 1.53Å | 1.53Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C34 | C33 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | N25 | sing | 1.47Å | 1.47Å | |
| C26 | N25 | sing | 1.47Å | 1.48Å | |
| CL1 | C2 | sing | 1.74Å | 1.75Å | |
| C30 | C22 | sing | 1.53Å | 1.53Å | |
| N25 | C24 | sing | 1.47Å | 1.47Å | |
| C33 | O32 | sing | 1.43Å | 1.43Å | |
| C4 | C2 | doub | 1.34Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.35Å | Aromatic |
| O32 | C18 | sing | 1.36Å | 1.37Å | |
| C2 | S3 | sing | 1.76Å | 1.69Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | doub | 1.36Å | 1.34Å | Aromatic |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| N20 | C21 | sing | 1.35Å | 1.34Å | |
| N20 | C19 | sing | 1.40Å | 1.34Å | |
| C21 | O31 | doub | 1.21Å | 1.23Å | |
| S3 | C6 | sing | 1.76Å | 1.64Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.47Å | 1.33Å | |
| C19 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C10 | doub | 1.37Å | 1.34Å | Aromatic |
| C7 | O8 | sing | 1.35Å | 1.35Å | Aromatic |
| C10 | C11 | sing | 1.41Å | 1.34Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | O13 | sing | 1.36Å | 1.37Å | |
| O13 | C12 | sing | 1.43Å | 1.44Å | |
| O8 | N9 | sing | 1.21Å | 1.45Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C11 | N9 | doub | 1.30Å | 1.33Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C30 | H4 | sing | 1.09Å | 1.10Å | |
| C30 | H5 | sing | 1.09Å | 1.10Å | |
| C29 | H6 | sing | 1.09Å | 1.10Å | |
| C29 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| N20 | H20 | sing | 0.97Å | 1.00Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C10 | H23 | sing | 1.08Å | 1.08Å | |
| C17 | H24 | sing | 1.08Å | 1.08Å | |
| C16 | H25 | sing | 1.08Å | 1.08Å | |
| C15 | H26 | sing | 1.08Å | 1.08Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C33 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C35 | H31 | sing | 1.09Å | 1.10Å | |
| C35 | H32 | sing | 1.09Å | 1.10Å | |
| C37 | H33 | sing | 1.09Å | 1.10Å | |
| C46 | H34 | sing | 1.09Å | 1.10Å | |
| O47 | H35 | sing | 0.97Å | 0.95Å | |
| C44 | H36 | sing | 1.09Å | 1.10Å | |
| O45 | H37 | sing | 0.97Å | 0.95Å | |
| C42 | H38 | sing | 1.09Å | 1.10Å | |
| O42 | H39 | sing | 0.97Å | 0.95Å | |
| C39 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H41 | sing | 1.09Å | 1.10Å | |
| C40 | H42 | sing | 1.09Å | 1.10Å | |
| O41 | H43 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O42 | C42 | C44 | 111.3° | 109.5° |
| O42 | C42 | C39 | 107.3° | 109.5° |
| O42 | C42 | H38 | 109.8° | 109.6° |
| C42 | O42 | H39 | 109.5° | 114.0° |
| O47 | C46 | C44 | 109.8° | 109.6° |
| O47 | C46 | C37 | 111.3° | 109.5° |
| O47 | C46 | H34 | 109.9° | 109.5° |
| C46 | O47 | H35 | 109.5° | 114.0° |
| C44 | C42 | C39 | 111.7° | 109.2° |
| C42 | C44 | C46 | 110.3° | 109.0° |
| C42 | C44 | O45 | 109.0° | 109.5° |
| C42 | C44 | H36 | 109.4° | 109.6° |
| C44 | C42 | H38 | 108.3° | 109.6° |
| C42 | C39 | C40 | 110.2° | 109.5° |
| C42 | C39 | O38 | 109.5° | 109.4° |
| C39 | C42 | H38 | 108.3° | 109.5° |
| C42 | C39 | H40 | 107.1° | 109.5° |
| C46 | C44 | O45 | 107.4° | 109.5° |
| C44 | C46 | C37 | 108.7° | 109.2° |
| C44 | C46 | H34 | 108.8° | 109.6° |
| C46 | C44 | H36 | 109.8° | 109.5° |
| O45 | C44 | H36 | 111.0° | 109.6° |
| C44 | O45 | H37 | 109.5° | 114.0° |
| O41 | C40 | C39 | 109.7° | 109.5° |
| O41 | C40 | H41 | 109.4° | 109.5° |
| O41 | C40 | H42 | 109.4° | 109.5° |
| C40 | O41 | H43 | 109.5° | 114.0° |
| C46 | C37 | O38 | 113.2° | 109.4° |
| C46 | C37 | O36 | 111.5° | 109.5° |
| C46 | C37 | H33 | 107.3° | 109.5° |
| C37 | C46 | H34 | 108.2° | 109.5° |
| C40 | C39 | O38 | 113.9° | 109.5° |
| C40 | C39 | H40 | 107.3° | 109.5° |
| C39 | C40 | H41 | 109.4° | 109.5° |
| C39 | C40 | H42 | 109.4° | 109.4° |
| C39 | O38 | C37 | 110.2° | 114.1° |
| O38 | C39 | H40 | 108.5° | 109.5° |
| O38 | C37 | O36 | 107.4° | 109.4° |
| O38 | C37 | H33 | 108.4° | 109.5° |
| C37 | O36 | C35 | 110.2° | 114.0° |
| O36 | C37 | H33 | 108.8° | 109.5° |
| O36 | C35 | C34 | 110.7° | 109.5° |
| O36 | C35 | H31 | 109.2° | 109.5° |
| O36 | C35 | H32 | 109.1° | 109.5° |
| C28 | C26 | C27 | 108.7° | 109.5° |
| C28 | C26 | N25 | 111.8° | 109.5° |
| C28 | C26 | H9 | 108.2° | 109.5° |
| C26 | C28 | H10 | 109.5° | 109.5° |
| C26 | C28 | H11 | 109.5° | 109.4° |
| C26 | C28 | H12 | 109.5° | 109.5° |
| C35 | C34 | C33 | 110.4° | 109.5° |
| C35 | C34 | H29 | 109.2° | 109.5° |
| C35 | C34 | H30 | 109.2° | 109.5° |
| C34 | C35 | H31 | 109.2° | 109.5° |
| C34 | C35 | H32 | 109.2° | 109.5° |
| C27 | C26 | N25 | 111.2° | 109.5° |
| C27 | C26 | H9 | 108.2° | 109.5° |
| C26 | C27 | H13 | 109.5° | 109.5° |
| C26 | C27 | H14 | 109.5° | 109.5° |
| C26 | C27 | H15 | 109.5° | 109.4° |
| C34 | C33 | O32 | 108.0° | 109.5° |
| C34 | C33 | H27 | 109.8° | 109.4° |
| C34 | C33 | H28 | 109.8° | 109.5° |
| C33 | C34 | H29 | 109.2° | 109.5° |
| C33 | C34 | H30 | 109.2° | 109.5° |
| C30 | C29 | N25 | 112.1° | 109.5° |
| C29 | C30 | C22 | 111.7° | 109.3° |
| C29 | C30 | H4 | 108.9° | 109.5° |
| C29 | C30 | H5 | 108.9° | 109.6° |
| C30 | C29 | H6 | 108.8° | 109.5° |
| C30 | C29 | H7 | 108.8° | 109.5° |
| C29 | N25 | C26 | 110.1° | 111.0° |
| C29 | N25 | C24 | 109.7° | 111.2° |
| N25 | C29 | H6 | 108.8° | 109.5° |
| N25 | C29 | H7 | 108.8° | 109.4° |
| C26 | N25 | C24 | 109.1° | 111.0° |
| N25 | C26 | H9 | 108.7° | 109.4° |
| CL1 | C2 | C4 | 126.7° | 125.0° |
| CL1 | C2 | S3 | 124.0° | 125.0° |
| C30 | C22 | C21 | 107.3° | 109.6° |
| C30 | C22 | C23 | 109.1° | 109.2° |
| C30 | C22 | H3 | 110.3° | 109.6° |
| C22 | C30 | H4 | 108.9° | 109.5° |
| C22 | C30 | H5 | 108.9° | 109.4° |
| N25 | C24 | C23 | 112.6° | 109.5° |
| N25 | C24 | H16 | 108.7° | 109.4° |
| N25 | C24 | H17 | 108.7° | 109.4° |
| C33 | O32 | C18 | 116.5° | 117.0° |
| O32 | C33 | H27 | 109.8° | 109.4° |
| O32 | C33 | H28 | 109.8° | 109.5° |
| C2 | C4 | C5 | 113.0° | 115.1° |
| C4 | C2 | S3 | 109.3° | 109.9° |
| C2 | C4 | H1 | 123.5° | 122.4° |
| C4 | C5 | C6 | 113.7° | 114.5° |
| C5 | C4 | H1 | 123.5° | 122.4° |
| C4 | C5 | H2 | 123.2° | 122.7° |
| O32 | C18 | C17 | 124.3° | 120.1° |
| O32 | C18 | C19 | 115.7° | 120.1° |
| C2 | S3 | C6 | 93.3° | 91.1° |
| C21 | C22 | C23 | 109.6° | 109.5° |
| C22 | C21 | N20 | 116.9° | 120.0° |
| C22 | C21 | O31 | 120.4° | 120.0° |
| C21 | C22 | H3 | 110.1° | 109.5° |
| C22 | C23 | C24 | 110.9° | 109.3° |
| C23 | C22 | H3 | 110.4° | 109.5° |
| C22 | C23 | H18 | 109.1° | 109.5° |
| C22 | C23 | H19 | 109.1° | 109.5° |
| C5 | C6 | S3 | 110.6° | 109.4° |
| C5 | C6 | C7 | 127.6° | 125.3° |
| C6 | C5 | H2 | 123.1° | 122.8° |
| C23 | C24 | H16 | 108.7° | 109.5° |
| C23 | C24 | H17 | 108.7° | 109.5° |
| C24 | C23 | H18 | 109.1° | 109.5° |
| C24 | C23 | H19 | 109.1° | 109.5° |
| C17 | C18 | C19 | 119.9° | 119.9° |
| C18 | C17 | C16 | 119.3° | 120.1° |
| C18 | C17 | H24 | 120.4° | 120.0° |
| C18 | C19 | N20 | 117.8° | 120.1° |
| C18 | C19 | C14 | 120.6° | 119.8° |
| C21 | N20 | C19 | 117.6° | 120.0° |
| N20 | C21 | O31 | 122.7° | 120.0° |
| C21 | N20 | H20 | 121.2° | 120.0° |
| N20 | C19 | C14 | 121.7° | 120.1° |
| C19 | N20 | H20 | 121.2° | 120.0° |
| S3 | C6 | C7 | 121.7° | 125.3° |
| C17 | C16 | C15 | 120.8° | 120.2° |
| C16 | C17 | H24 | 120.3° | 119.9° |
| C17 | C16 | H25 | 119.6° | 119.8° |
| C6 | C7 | C10 | 125.9° | 127.0° |
| C6 | C7 | O8 | 123.0° | 127.0° |
| C19 | C14 | C15 | 119.6° | 119.9° |
| C19 | C14 | O13 | 118.5° | 120.1° |
| C10 | C7 | O8 | 111.0° | 106.0° |
| C7 | C10 | C11 | 107.3° | 103.9° |
| C7 | C10 | H23 | 126.4° | 128.1° |
| C7 | O8 | N9 | 104.5° | 111.4° |
| C10 | C11 | C12 | 124.5° | 126.7° |
| C10 | C11 | N9 | 111.5° | 106.7° |
| C11 | C10 | H23 | 126.3° | 128.1° |
| C16 | C15 | C14 | 119.8° | 120.1° |
| C15 | C16 | H25 | 119.6° | 119.9° |
| C16 | C15 | H26 | 120.1° | 120.0° |
| C15 | C14 | O13 | 121.9° | 120.1° |
| C14 | C15 | H26 | 120.1° | 119.9° |
| C14 | O13 | C12 | 112.2° | 117.0° |
| O13 | C12 | C11 | 106.3° | 109.5° |
| O13 | C12 | H21 | 110.3° | 109.5° |
| O13 | C12 | H22 | 110.3° | 109.5° |
| O8 | N9 | C11 | 105.7° | 112.0° |
| C12 | C11 | N9 | 124.0° | 126.7° |
| C11 | C12 | H21 | 110.3° | 109.5° |
| C11 | C12 | H22 | 110.3° | 109.5° |
| H4 | C30 | H5 | 109.5° | 109.5° |
| H6 | C29 | H7 | 109.5° | 109.4° |
| H10 | C28 | H11 | 109.5° | 109.5° |
| H10 | C28 | H12 | 109.4° | 109.5° |
| H11 | C28 | H12 | 109.5° | 109.5° |
| H13 | C27 | H14 | 109.5° | 109.5° |
| H13 | C27 | H15 | 109.4° | 109.5° |
| H14 | C27 | H15 | 109.5° | 109.5° |
| H16 | C24 | H17 | 109.5° | 109.5° |
| H18 | C23 | H19 | 109.5° | 109.5° |
| H21 | C12 | H22 | 109.4° | 109.4° |
| H27 | C33 | H28 | 109.5° | 109.5° |
| H29 | C34 | H30 | 109.5° | 109.4° |
| H31 | C35 | H32 | 109.5° | 109.4° |
| H41 | C40 | H42 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O42 | C42 | C44 | C39 | 119.9° | 119.9° |
| O42 | C42 | C44 | H38 | 120.8° | 120.2° |
| O42 | C42 | C39 | H38 | 118.5° | 120.2° |
| O42 | C42 | C44 | C46 | 87.9° | 176.9° |
| O42 | C42 | C44 | O45 | 154.5° | 63.3° |
| O42 | C42 | C39 | C40 | 79.4° | 62.5° |
| O42 | C42 | C39 | O38 | 154.5° | 177.5° |
| O42 | C42 | C44 | H36 | 32.9° | 57.0° |
| O42 | C42 | C39 | H40 | 37.0° | 57.6° |
| O47 | C46 | C44 | C42 | 61.2° | 176.9° |
| O47 | C46 | C44 | C37 | 122.0° | 119.9° |
| O47 | C46 | C44 | H34 | 120.3° | 120.2° |
| O47 | C46 | C44 | O45 | 179.9° | 63.3° |
| O47 | C46 | C37 | H34 | 120.8° | 120.1° |
| O47 | C46 | C37 | O38 | 95.5° | 177.6° |
| O47 | C46 | C37 | O36 | 143.2° | 62.5° |
| O47 | C46 | C37 | H33 | 24.1° | 57.6° |
| O47 | C46 | C44 | H36 | 59.3° | 56.9° |
| C44 | C42 | C39 | H38 | 119.2° | 119.9° |
| C42 | C44 | C46 | O45 | 118.6° | 119.8° |
| C42 | C44 | C46 | H36 | 120.6° | 120.0° |
| C42 | C44 | O45 | H36 | 120.6° | 120.3° |
| C42 | C44 | C46 | C37 | 60.8° | 57.0° |
| C44 | C42 | C39 | C40 | 158.3° | 177.6° |
| C44 | C42 | C39 | O38 | 32.2° | 57.6° |
| C42 | C44 | C46 | H34 | 178.5° | 62.9° |
| C42 | C44 | O45 | H37 | 180.0° | 179.6° |
| C44 | C42 | O42 | H39 | 180.0° | 60.0° |
| C44 | C42 | C39 | H40 | 85.3° | 62.3° |
| C39 | C42 | C44 | C46 | 32.0° | 57.0° |
| C39 | C42 | C44 | O45 | 85.6° | 176.8° |
| C42 | C39 | C40 | O41 | 22.8° | 175.0° |
| C42 | C39 | C40 | O38 | 123.5° | 119.9° |
| C42 | C39 | C40 | H40 | 116.3° | 120.0° |
| C42 | C39 | O38 | H40 | 116.6° | 119.9° |
| C42 | C39 | O38 | C37 | 70.0° | 61.1° |
| C39 | C42 | C44 | H36 | 152.8° | 62.9° |
| C39 | C42 | O42 | H39 | 57.5° | 179.7° |
| C42 | C39 | C40 | H41 | 142.8° | 54.9° |
| C42 | C39 | C40 | H42 | 97.3° | 65.0° |
| C46 | C44 | O45 | H36 | 120.0° | 120.2° |
| C44 | C46 | C37 | H34 | 118.0° | 120.0° |
| C44 | C46 | C37 | O38 | 25.6° | 57.6° |
| C44 | C46 | C37 | O36 | 95.6° | 177.6° |
| C44 | C46 | C37 | H33 | 145.2° | 62.3° |
| C44 | C46 | O47 | H35 | 180.0° | 179.7° |
| C46 | C44 | O45 | H37 | 60.5° | 60.0° |
| C46 | C44 | C42 | H38 | 151.2° | 62.9° |
| O45 | C44 | C46 | C37 | 57.8° | 176.9° |
| O45 | C44 | C46 | H34 | 59.9° | 56.9° |
| O45 | C44 | C42 | H38 | 33.6° | 56.9° |
| O41 | C40 | C39 | H41 | 120.0° | 120.1° |
| O41 | C40 | C39 | H42 | 120.0° | 120.0° |
| O41 | C40 | C39 | O38 | 146.3° | 65.1° |
| O41 | C40 | C39 | H40 | 93.6° | 55.0° |
| O41 | C40 | H41 | H42 | 119.8° | 120.0° |
| C46 | C37 | O38 | C39 | 39.1° | 61.2° |
| C46 | C37 | O38 | O36 | 123.6° | 120.0° |
| C46 | C37 | O38 | H33 | 119.0° | 120.0° |
| C46 | C37 | O36 | H33 | 118.2° | 120.1° |
| C46 | C37 | O36 | C35 | 117.9° | 175.0° |
| C37 | C46 | O47 | H35 | 59.5° | 60.0° |
| C37 | C46 | C44 | H36 | 178.6° | 62.9° |
| C40 | C39 | O38 | H40 | 119.5° | 120.0° |
| C40 | C39 | O38 | C37 | 166.1° | 178.8° |
| C40 | C39 | C42 | H38 | 39.1° | 57.7° |
| C39 | C40 | H41 | H42 | 119.9° | 119.9° |
| C39 | C40 | O41 | H43 | 180.0° | 180.0° |
| C39 | O38 | C37 | O36 | 162.7° | 178.9° |
| C39 | O38 | C37 | H33 | 79.9° | 58.9° |
| O38 | C39 | C42 | H38 | 87.0° | 62.3° |
| O38 | C39 | C40 | H41 | 93.7° | 174.9° |
| O38 | C39 | C40 | H42 | 26.3° | 55.0° |
| O38 | C37 | O36 | H33 | 117.2° | 120.0° |
| O38 | C37 | O36 | C35 | 117.5° | 65.0° |
| O38 | C37 | C46 | H34 | 143.7° | 62.4° |
| C37 | O38 | C39 | H40 | 46.6° | 58.8° |
| C37 | O36 | C35 | C34 | 168.3° | 180.0° |
| C37 | O36 | C35 | H31 | 48.1° | 60.0° |
| C37 | O36 | C35 | H32 | 71.5° | 59.9° |
| O36 | C37 | C46 | H34 | 22.4° | 57.6° |
| O36 | C35 | C34 | H31 | 120.2° | 120.0° |
| O36 | C35 | C34 | H32 | 120.2° | 120.1° |
| O36 | C35 | C34 | C33 | 71.9° | 180.0° |
| O36 | C35 | C34 | H29 | 48.2° | 60.0° |
| O36 | C35 | C34 | H30 | 167.9° | 59.9° |
| O36 | C35 | H31 | H32 | 119.4° | 120.0° |
| C35 | O36 | C37 | H33 | 0.3° | 54.9° |
| C28 | C26 | C27 | N25 | 123.5° | 120.0° |
| C28 | C26 | C27 | H9 | 117.2° | 120.0° |
| C28 | C26 | N25 | C29 | 63.0° | 179.1° |
| C28 | C26 | N25 | H9 | 119.3° | 119.9° |
| C28 | C26 | N25 | C24 | 176.7° | 54.9° |
| C26 | C28 | H10 | H11 | 120.0° | 119.9° |
| C26 | C28 | H10 | H12 | 120.0° | 120.0° |
| C26 | C28 | H11 | H12 | 120.0° | 120.0° |
| C28 | C26 | C27 | H13 | 180.0° | 179.9° |
| C28 | C26 | C27 | H14 | 60.0° | 60.0° |
| C28 | C26 | C27 | H15 | 60.0° | 60.0° |
| C35 | C34 | C33 | H29 | 120.1° | 120.0° |
| C35 | C34 | C33 | H30 | 120.1° | 120.0° |
| C35 | C34 | C33 | O32 | 158.8° | 180.0° |
| C35 | C34 | C33 | H27 | 81.4° | 60.0° |
| C35 | C34 | C33 | H28 | 39.1° | 60.0° |
| C35 | C34 | H29 | H30 | 119.6° | 120.0° |
| C34 | C35 | H31 | H32 | 119.4° | 120.0° |
| C27 | C26 | N25 | C29 | 58.7° | 60.8° |
| C27 | C26 | N25 | H9 | 119.0° | 120.0° |
| C27 | C26 | N25 | C24 | 61.6° | 175.0° |
| C27 | C26 | C28 | H10 | 180.0° | 66.0° |
| C27 | C26 | C28 | H11 | 60.0° | 54.0° |
| C27 | C26 | C28 | H12 | 60.0° | 173.9° |
| C26 | C27 | H13 | H14 | 120.0° | 120.0° |
| C26 | C27 | H13 | H15 | 120.0° | 119.9° |
| C26 | C27 | H14 | H15 | 120.0° | 119.9° |
| C34 | C33 | O32 | H27 | 119.7° | 119.9° |
| C34 | C33 | O32 | H28 | 119.8° | 120.0° |
| C34 | C33 | O32 | C18 | 167.7° | 180.0° |
| C34 | C33 | H27 | H28 | 120.7° | 120.0° |
| C33 | C34 | H29 | H30 | 119.6° | 120.0° |
| C33 | C34 | C35 | H31 | 167.9° | 60.0° |
| C33 | C34 | C35 | H32 | 48.2° | 60.0° |
| C30 | C29 | N25 | H6 | 120.4° | 120.1° |
| C30 | C29 | N25 | H7 | 120.4° | 120.0° |
| C30 | C29 | N25 | C26 | 170.5° | 174.1° |
| C29 | C30 | C22 | H4 | 120.3° | 120.0° |
| C29 | C30 | C22 | H5 | 120.3° | 120.0° |
| C30 | C29 | N25 | C24 | 50.5° | 61.7° |
| C29 | C30 | C22 | C21 | 177.4° | 62.3° |
| C29 | C30 | C22 | C23 | 58.7° | 57.7° |
| C29 | C30 | C22 | H3 | 62.6° | 177.6° |
| C29 | C30 | H4 | H5 | 119.0° | 120.2° |
| C30 | C29 | H6 | H7 | 118.8° | 120.0° |
| C29 | N25 | C26 | C24 | 120.4° | 124.2° |
| N25 | C29 | C30 | C22 | 9.2° | 59.2° |
| C29 | N25 | C24 | C23 | 62.8° | 61.7° |
| N25 | C29 | C30 | H4 | 111.1° | 60.8° |
| N25 | C29 | C30 | H5 | 129.6° | 179.1° |
| N25 | C29 | H6 | H7 | 118.8° | 119.9° |
| C29 | N25 | C26 | H9 | 177.7° | 59.2° |
| C29 | N25 | C24 | H16 | 176.8° | 178.3° |
| C29 | N25 | C24 | H17 | 57.7° | 58.3° |
| C26 | N25 | C24 | C23 | 176.6° | 174.1° |
| C26 | N25 | C29 | H6 | 69.1° | 54.1° |
| C26 | N25 | C29 | H7 | 50.1° | 65.8° |
| N25 | C26 | C28 | H10 | 56.9° | 54.1° |
| N25 | C26 | C28 | H11 | 63.1° | 174.0° |
| N25 | C26 | C28 | H12 | 176.9° | 66.0° |
| N25 | C26 | C27 | H13 | 56.5° | 59.9° |
| N25 | C26 | C27 | H14 | 176.5° | 180.0° |
| N25 | C26 | C27 | H15 | 63.5° | 60.0° |
| C26 | N25 | C24 | H16 | 56.2° | 54.1° |
| C26 | N25 | C24 | H17 | 62.9° | 65.8° |
| CL1 | C2 | C4 | S3 | 179.9° | 179.8° |
| CL1 | C2 | C4 | C5 | 179.8° | 179.8° |
| CL1 | C2 | S3 | C6 | 179.1° | 179.8° |
| CL1 | C2 | C4 | H1 | 0.2° | 0.2° |
| C30 | C22 | C21 | C23 | 118.4° | 119.7° |
| C30 | C22 | C21 | H3 | 120.0° | 120.2° |
| C30 | C22 | C23 | H3 | 121.3° | 120.0° |
| C30 | C22 | C23 | C24 | 46.9° | 57.7° |
| C30 | C22 | C21 | N20 | 101.3° | 52.8° |
| C30 | C22 | C21 | O31 | 75.8° | 127.1° |
| C22 | C30 | H4 | H5 | 119.0° | 120.0° |
| C22 | C30 | C29 | H6 | 111.1° | 179.2° |
| C22 | C30 | C29 | H7 | 129.7° | 60.8° |
| C30 | C22 | C23 | H18 | 73.3° | 177.6° |
| C30 | C22 | C23 | H19 | 167.1° | 62.3° |
| N25 | C24 | C23 | C22 | 11.7° | 59.2° |
| N25 | C24 | C23 | H16 | 120.5° | 120.0° |
| N25 | C24 | C23 | H17 | 120.5° | 120.0° |
| C24 | N25 | C29 | H6 | 170.9° | 178.2° |
| C24 | N25 | C29 | H7 | 69.9° | 58.3° |
| C24 | N25 | C26 | H9 | 57.3° | 65.0° |
| N25 | C24 | H16 | H17 | 118.6° | 119.9° |
| N25 | C24 | C23 | H18 | 131.9° | 179.2° |
| N25 | C24 | C23 | H19 | 108.5° | 60.8° |
| C33 | O32 | C18 | C17 | 20.8° | 0.1° |
| C33 | O32 | C18 | C19 | 158.8° | 179.9° |
| O32 | C33 | H27 | H28 | 120.7° | 120.0° |
| O32 | C33 | C34 | H29 | 38.7° | 60.0° |
| O32 | C33 | C34 | H30 | 81.0° | 59.9° |
| C2 | C4 | C5 | H1 | 180.0° | 179.9° |
| C2 | C4 | C5 | C6 | 0.9° | 0.0° |
| C4 | C2 | S3 | C6 | 0.8° | 0.0° |
| C2 | C4 | C5 | H2 | 179.1° | 180.0° |
| C5 | C4 | C2 | S3 | 0.1° | 0.1° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | S3 | 1.5° | 0.0° |
| C4 | C5 | C6 | C7 | 177.7° | 180.0° |
| O32 | C18 | C17 | C19 | 179.6° | 180.0° |
| O32 | C18 | C19 | N20 | 0.9° | 0.1° |
| O32 | C18 | C17 | C16 | 180.0° | 179.9° |
| O32 | C18 | C19 | C14 | 179.7° | 179.7° |
| O32 | C18 | C17 | H24 | 0.0° | 0.0° |
| C18 | O32 | C33 | H27 | 47.9° | 60.0° |
| C18 | O32 | C33 | H28 | 72.5° | 60.0° |
| C2 | S3 | C6 | C5 | 1.3° | 0.0° |
| C2 | S3 | C6 | C7 | 177.7° | 180.0° |
| S3 | C2 | C4 | H1 | 179.9° | 180.0° |
| C21 | C22 | C23 | H3 | 121.5° | 120.1° |
| C21 | C22 | C23 | C24 | 164.1° | 62.3° |
| C22 | C21 | N20 | O31 | 177.0° | 179.9° |
| C22 | C21 | N20 | C19 | 176.1° | 174.5° |
| C21 | C22 | C30 | H4 | 57.1° | 177.8° |
| C21 | C22 | C30 | H5 | 62.2° | 57.7° |
| C21 | C22 | C23 | H18 | 43.9° | 57.7° |
| C21 | C22 | C23 | H19 | 75.7° | 177.8° |
| C22 | C21 | N20 | H20 | 3.9° | 5.6° |
| C22 | C23 | C24 | H18 | 120.2° | 120.0° |
| C22 | C23 | C24 | H19 | 120.2° | 120.0° |
| C23 | C22 | C21 | N20 | 140.3° | 172.5° |
| C23 | C22 | C21 | O31 | 42.6° | 7.4° |
| C23 | C22 | C30 | H4 | 61.6° | 62.3° |
| C23 | C22 | C30 | H5 | 179.1° | 177.7° |
| C22 | C23 | C24 | H16 | 132.1° | 179.2° |
| C22 | C23 | C24 | H17 | 108.8° | 60.8° |
| C22 | C23 | H18 | H19 | 119.3° | 120.1° |
| C5 | C6 | S3 | C7 | 176.4° | 180.0° |
| C5 | C6 | C7 | C10 | 20.6° | 175.5° |
| C5 | C6 | C7 | O8 | 164.2° | 4.4° |
| C6 | C5 | C4 | H1 | 179.0° | 180.0° |
| C24 | C23 | C22 | H3 | 74.4° | 177.7° |
| C23 | C24 | H16 | H17 | 118.5° | 120.0° |
| C24 | C23 | H18 | H19 | 119.4° | 120.1° |
| C17 | C18 | C19 | N20 | 179.4° | 180.0° |
| C18 | C17 | C16 | H24 | 180.0° | 180.0° |
| C17 | C18 | C19 | C14 | 0.6° | 0.3° |
| C18 | C17 | C16 | C15 | 0.1° | 0.3° |
| C18 | C17 | C16 | H25 | 179.9° | 180.0° |
| C18 | C19 | N20 | C21 | 69.8° | 49.1° |
| C18 | C19 | N20 | C14 | 178.8° | 179.7° |
| C19 | C18 | C17 | C16 | 0.4° | 0.0° |
| C18 | C19 | C14 | C15 | 0.5° | 0.3° |
| C18 | C19 | C14 | O13 | 179.9° | 179.7° |
| C18 | C19 | N20 | H20 | 110.2° | 130.8° |
| C19 | C18 | C17 | H24 | 179.6° | 180.0° |
| C21 | N20 | C19 | H20 | 180.0° | 179.9° |
| C21 | N20 | C19 | C14 | 111.4° | 131.2° |
| N20 | C21 | C22 | H3 | 18.7° | 67.4° |
| C19 | N20 | C21 | O31 | 0.9° | 5.4° |
| N20 | C19 | C14 | C15 | 179.2° | 180.0° |
| N20 | C19 | C14 | O13 | 1.1° | 0.1° |
| O31 | C21 | C22 | H3 | 164.2° | 112.7° |
| O31 | C21 | N20 | H20 | 179.1° | 174.5° |
| S3 | C6 | C7 | C10 | 155.1° | 4.5° |
| S3 | C6 | C7 | O8 | 20.1° | 175.6° |
| S3 | C6 | C5 | H2 | 178.5° | 180.0° |
| C17 | C16 | C15 | H25 | 180.0° | 179.7° |
| C17 | C16 | C15 | C14 | 0.0° | 0.3° |
| C17 | C16 | C15 | H26 | 180.0° | 179.7° |
| C6 | C7 | C10 | O8 | 175.7° | 179.9° |
| C6 | C7 | C10 | C11 | 177.4° | 179.9° |
| C6 | C7 | O8 | N9 | 177.5° | 180.0° |
| C7 | C6 | C5 | H2 | 2.4° | 0.0° |
| C6 | C7 | C10 | H23 | 2.6° | 0.0° |
| C19 | C14 | C15 | C16 | 0.1° | 0.0° |
| C19 | C14 | C15 | O13 | 179.6° | 179.9° |
| C19 | C14 | O13 | C12 | 147.3° | 174.3° |
| C14 | C19 | N20 | H20 | 68.6° | 48.9° |
| C19 | C14 | C15 | H26 | 179.9° | 180.0° |
| C7 | C10 | C11 | H23 | 180.0° | 180.0° |
| C10 | C7 | O8 | N9 | 1.6° | 0.0° |
| C7 | C10 | C11 | C12 | 179.6° | 180.0° |
| C7 | C10 | C11 | N9 | 1.1° | 0.0° |
| O8 | C7 | C10 | C11 | 1.7° | 0.0° |
| C7 | O8 | N9 | C11 | 0.9° | 0.0° |
| O8 | C7 | C10 | H23 | 178.3° | 179.9° |
| C10 | C11 | C12 | O13 | 83.5° | 3.5° |
| C10 | C11 | N9 | O8 | 0.1° | 0.0° |
| C10 | C11 | C12 | N9 | 178.4° | 180.0° |
| C10 | C11 | C12 | H21 | 157.0° | 116.5° |
| C10 | C11 | C12 | H22 | 36.0° | 123.5° |
| C16 | C15 | C14 | H26 | 180.0° | 179.9° |
| C16 | C15 | C14 | O13 | 179.8° | 180.0° |
| C15 | C16 | C17 | H24 | 179.9° | 179.7° |
| C15 | C14 | O13 | C12 | 33.1° | 5.7° |
| C14 | C15 | C16 | H25 | 180.0° | 180.0° |
| C14 | O13 | C12 | C11 | 130.2° | 180.0° |
| C14 | O13 | C12 | H21 | 110.3° | 60.0° |
| C14 | O13 | C12 | H22 | 10.7° | 60.0° |
| O13 | C14 | C15 | H26 | 0.2° | 0.1° |
| O13 | C12 | C11 | H21 | 119.5° | 120.0° |
| O13 | C12 | C11 | H22 | 119.5° | 120.0° |
| O13 | C12 | C11 | N9 | 94.9° | 176.5° |
| O13 | C12 | H21 | H22 | 121.5° | 120.0° |
| O8 | N9 | C11 | C12 | 178.7° | 180.0° |
| C11 | C12 | H21 | H22 | 121.4° | 120.0° |
| C12 | C11 | C10 | H23 | 0.4° | 0.1° |
| N9 | C11 | C12 | H21 | 24.6° | 63.5° |
| N9 | C11 | C12 | H22 | 145.6° | 56.4° |
| N9 | C11 | C10 | H23 | 179.0° | 180.0° |
| H1 | C4 | C5 | H2 | 0.9° | 0.1° |
| H3 | C22 | C30 | H4 | 177.0° | 57.6° |
| H3 | C22 | C30 | H5 | 57.7° | 62.4° |
| H3 | C22 | C23 | H18 | 165.3° | 62.4° |
| H3 | C22 | C23 | H19 | 45.7° | 57.7° |
| H4 | C30 | C29 | H6 | 128.5° | 59.3° |
| H4 | C30 | C29 | H7 | 9.3° | 179.3° |
| H5 | C30 | C29 | H6 | 9.2° | 60.9° |
| H5 | C30 | C29 | H7 | 110.0° | 59.1° |
| H9 | C26 | C28 | H10 | 62.8° | 174.0° |
| H9 | C26 | C28 | H11 | 177.2° | 66.0° |
| H9 | C26 | C28 | H12 | 57.2° | 53.9° |
| H9 | C26 | C27 | H13 | 62.8° | 60.1° |
| H9 | C26 | C27 | H14 | 57.2° | 60.0° |
| H9 | C26 | C27 | H15 | 177.2° | 180.0° |
| H10 | C28 | H11 | H12 | 120.0° | 120.1° |
| H13 | C27 | H14 | H15 | 120.0° | 120.0° |
| H16 | C24 | C23 | H18 | 107.6° | 60.9° |
| H16 | C24 | C23 | H19 | 12.0° | 59.2° |
| H17 | C24 | C23 | H18 | 11.4° | 59.1° |
| H17 | C24 | C23 | H19 | 131.0° | 179.2° |
| H24 | C17 | C16 | H25 | 0.1° | 0.0° |
| H25 | C16 | C15 | H26 | 0.0° | 0.1° |
| H27 | C33 | C34 | H29 | 158.4° | 180.0° |
| H27 | C33 | C34 | H30 | 38.7° | 60.0° |
| H28 | C33 | C34 | H29 | 81.1° | 60.0° |
| H28 | C33 | C34 | H30 | 159.2° | 180.0° |
| H29 | C34 | C35 | H31 | 72.0° | 180.0° |
| H29 | C34 | C35 | H32 | 168.4° | 60.1° |
| H30 | C34 | C35 | H31 | 47.7° | 60.1° |
| H30 | C34 | C35 | H32 | 71.9° | 180.0° |
| H33 | C37 | C46 | H34 | 96.7° | 177.7° |
| H34 | C46 | O47 | H35 | 60.4° | 60.1° |
| H34 | C46 | C44 | H36 | 60.9° | 177.1° |
| H36 | C44 | O45 | H37 | 59.5° | 60.1° |
| H36 | C44 | C42 | H38 | 87.9° | 177.2° |
| H38 | C42 | O42 | H39 | 60.0° | 60.2° |
| H38 | C42 | C39 | H40 | 155.5° | 177.7° |
| H40 | C39 | C40 | H41 | 26.5° | 65.1° |
| H40 | C39 | C40 | H42 | 146.4° | 175.0° |
| H41 | C40 | O41 | H43 | 60.0° | 60.0° |
| H42 | C40 | O41 | H43 | 60.0° | 60.0° |
